Information card for entry 7008407

Structure parameters

• Formula: C46 H74 Br2 Li2 O4 P2 Si4
• Calculated formula: C46 H74 Br2 Li2 O4 P2 Si4
• SMILES: [Li]12([Br][Li]3([Br]2)[O](Cc2c(ccccc2)P(C([Si](C)(C)C)[Si](C)(C)C)c2ccccc2C[O]3C)C)[O](Cc2c(cccc2)P(C([Si](C)(C)C)[Si](C)(C)C)c2ccccc2C[O]1C)C
• Title of publication: Effect of peripheral donor substituents on the binding modes of phosphinomethanide ligands. Synthesis and crystal structures of alkali metal derivatives of an O-functionalised phosphinomethanide ligand.
• Authors of publication: Izod, Keith; Young, Jonathan; Clegg, William; Harrington, Ross W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1658 - 1663
• a: 12.0404 ± 0.0006 Å
• b: 9.4535 ± 0.0005 Å
• c: 24.4234 ± 0.0012 Å
• α: 90°
• β: 95.371 ± 0.001°
• γ: 90°
• Cell volume: 2767.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No